C493H281N11O29S9 — CID 157210027
5-[3'-([1]benzothiolo[2,3-b]pyridin-5-yl)-9,9'-spirobi[xanthene]-3-yl]-[1]benzothiolo[2,3-b]pyridine;5-[3'-([1]benzothiolo[2,3-c]pyridin-5-yl)-9,9'-spirobi[xanthene]-3-yl]-[1]benzothiolo[2,3-c]pyridine;9-[3'-([1]benzothiolo[3,2-c]pyridin-9-yl)-9,9'-spirobi[xanthene]-3-yl]-[1]benzothiolo[3,2-c]pyridine;5-(3'-dibenzofuran-1-yl-9,9'-spirobi[xanthene]-3-yl)-[1]benzofuro[2,3-b]pyridine;5-(3'-dibenzofuran-1-yl-9,9'-spirobi[xanthene]-3-yl)-[1]benzofuro[2,3-c]pyridine;9-(3-dibenzofuran-1-yl-9,9'-spirobi[xanthene]-3'-yl)-[1]benzofuro[3,2-c]pyridine;4-(3'-dibenzofuran-1-yl-9,9'-spirobi[xanthene]-3-yl)-9-phenylcarbazole;4-(3'-dibenzothiophen-1-yl-9,9'-spirobi[xanthene]-3-yl)-9-phenylcarbazole;3,3'-di(dibenzofuran-1-yl)-9,9'-spirobi[xanthene];3,3'-di(dibenzothiophen-1-yl)-9,9'-spirobi[xanthene] (PubChem CID 157210027) has the molecular formula C493H281N11O29S9 and a molecular weight of 7111.32 g/mol. Its IUPAC name is 5-[3'-([1]benzothiolo[2,3-b]pyridin-5-yl)-9,9'-spirobi[xanthene]-3-yl]-[1]benzothiolo[2,3-b]pyridine;5-[3'-([1]benzothiolo[2,3-c]pyridin-5-yl)-9,9'-spirobi[xanthene]-3-yl]-[1]benzothiolo[2,3-c]pyridine;9-[3'-([1]benzothiolo[3,2-c]pyridin-9-yl)-9,9'-spirobi[xanthene]-3-yl]-[1]benzothiolo[3,2-c]pyridine;5-(3'-dibenzofuran-1-yl-9,9'-spirobi[xanthene]-3-yl)-[1]benzofuro[2,3-b]pyridine;5-(3'-dibenzofuran-1-yl-9,9'-spirobi[xanthene]-3-yl)-[1]benzofuro[2,3-c]pyridine;9-(3-dibenzofuran-1-yl-9,9'-spirobi[xanthene]-3'-yl)-[1]benzofuro[3,2-c]pyridine;4-(3'-dibenzofuran-1-yl-9,9'-spirobi[xanthene]-3-yl)-9-phenylcarbazole;4-(3'-dibenzothiophen-1-yl-9,9'-spirobi[xanthene]-3-yl)-9-phenylcarbazole;3,3'-di(dibenzofuran-1-yl)-9,9'-spirobi[xanthene];3,3'-di(dibenzothiophen-1-yl)-9,9'-spirobi[xanthene].
| Compound Name | 5-[3'-([1]benzothiolo[2,3-b]pyridin-5-yl)-9,9'-spirobi[xanthene]-3-yl]-[1]benzothiolo[2,3-b]pyridine;5-[3'-([1]benzothiolo[2,3-c]pyridin-5-yl)-9,9'-spirobi[xanthene]-3-yl]-[1]benzothiolo[2,3-c]pyridine;9-[3'-([1]benzothiolo[3,2-c]pyridin-9-yl)-9,9'-spirobi[xanthene]-3-yl]-[1]benzothiolo[3,2-c]pyridine;5-(3'-dibenzofuran-1-yl-9,9'-spirobi[xanthene]-3-yl)-[1]benzofuro[2,3-b]pyridine;5-(3'-dibenzofuran-1-yl-9,9'-spirobi[xanthene]-3-yl)-[1]benzofuro[2,3-c]pyridine;9-(3-dibenzofuran-1-yl-9,9'-spirobi[xanthene]-3'-yl)-[1]benzofuro[3,2-c]pyridine;4-(3'-dibenzofuran-1-yl-9,9'-spirobi[xanthene]-3-yl)-9-phenylcarbazole;4-(3'-dibenzothiophen-1-yl-9,9'-spirobi[xanthene]-3-yl)-9-phenylcarbazole;3,3'-di(dibenzofuran-1-yl)-9,9'-spirobi[xanthene];3,3'-di(dibenzothiophen-1-yl)-9,9'-spirobi[xanthene] |
|---|---|
| PubChem CID | 157210027 |
| Molecular Formula | C493H281N11O29S9 |
| Molecular Weight | 7111.32 g/mol |
| Exact Mass | 7104.83 |
| IUPAC Name | 5-[3'-([1]benzothiolo[2,3-b]pyridin-5-yl)-9,9'-spirobi[xanthene]-3-yl]-[1]benzothiolo[2,3-b]pyridine;5-[3'-([1]benzothiolo[2,3-c]pyridin-5-yl)-9,9'-spirobi[xanthene]-3-yl]-[1]benzothiolo[2,3-c]pyridine;9-[3'-([1]benzothiolo[3,2-c]pyridin-9-yl)-9,9'-spirobi[xanthene]-3-yl]-[1]benzothiolo[3,2-c]pyridine;5-(3'-dibenzofuran-1-yl-9,9'-spirobi[xanthene]-3-yl)-[1]benzofuro[2,3-b]pyridine;5-(3'-dibenzofuran-1-yl-9,9'-spirobi[xanthene]-3-yl)-[1]benzofuro[2,3-c]pyridine;9-(3-dibenzofuran-1-yl-9,9'-spirobi[xanthene]-3'-yl)-[1]benzofuro[3,2-c]pyridine;4-(3'-dibenzofuran-1-yl-9,9'-spirobi[xanthene]-3-yl)-9-phenylcarbazole;4-(3'-dibenzothiophen-1-yl-9,9'-spirobi[xanthene]-3-yl)-9-phenylcarbazole;3,3'-di(dibenzofuran-1-yl)-9,9'-spirobi[xanthene];3,3'-di(dibenzothiophen-1-yl)-9,9'-spirobi[xanthene] |
| SMILES | c1ccc(-n2c3ccccc3c3c(-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5Oc5cc(-c6cccc7oc8ccccc8c67)ccc54)cccc32)cc1.c1ccc(-n2c3ccccc3c3c(-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5Oc5cc(-c6cccc7sc8ccccc8c67)ccc54)cccc32)cc1.c1ccc2c(c1)Oc1cc(-c3cccc4oc5ccccc5c34)ccc1C21c2ccccc2Oc2cc(-c3cccc4oc5ccccc5c34)ccc21.c1ccc2c(c1)Oc1cc(-c3cccc4oc5ccccc5c34)ccc1C21c2ccccc2Oc2cc(-c3cccc4oc5ccncc5c34)ccc21.c1ccc2c(c1)Oc1cc(-c3cccc4oc5ccccc5c34)ccc1C21c2ccccc2Oc2cc(-c3cccc4oc5cnccc5c34)ccc21.c1ccc2c(c1)Oc1cc(-c3cccc4oc5ccccc5c34)ccc1C21c2ccccc2Oc2cc(-c3cccc4oc5ncccc5c34)ccc21.c1ccc2c(c1)Oc1cc(-c3cccc4sc5ccccc5c34)ccc1C21c2ccccc2Oc2cc(-c3cccc4sc5ccccc5c34)ccc21.c1ccc2c(c1)Oc1cc(-c3cccc4sc5ccncc5c34)ccc1C21c2ccccc2Oc2cc(-c3cccc4sc5ccncc5c34)ccc21.c1ccc2c(c1)Oc1cc(-c3cccc4sc5cnccc5c34)ccc1C21c2ccccc2Oc2cc(-c3cccc4sc5cnccc5c34)ccc21.c1ccc2c(c1)Oc1cc(-c3cccc4sc5ncccc5c34)ccc1C21c2ccccc2Oc2cc(-c3cccc4sc5ncccc5c34)ccc21 |
| InChI | InChI=1S/C55H33NO3.C55H33NO2S.C49H28O4.C49H28O2S2.3C48H27NO4.3C47H26N2O2S2/c1-2-14-36(15-3-1)56-45-22-8-4-16-39(45)53-37(18-12-23-46(53)56)34-28-30-43-51(32-34)58-48-25-10-6-20-41(48)55(43)42-21-7-11-26-49(42)59-52-33-35(29-31-44(52)55)38-19-13-27-50-54(38)40-17-5-9-24-47(40)57-50;1-2-14-36(15-3-1)56-45-22-8-4-16-39(45)53-37(18-12-23-46(53)56)34-28-30-43-49(32-34)57-47-24-9-6-20-41(47)55(43)42-21-7-10-25-48(42)58-50-33-35(29-31-44(50)55)38-19-13-27-52-54(38)40-17-5-11-26-51(40)59-52;1-5-17-39-33(11-1)47-31(13-9-21-43(47)50-39)29-23-25-37-45(27-29)52-41-19-7-3-15-35(41)49(37)36-16-4-8-20-42(36)53-46-28-30(24-26-38(46)49)32-14-10-22-44-48(32)34-12-2-6-18-40(34)51-44;1-7-19-43-33(11-1)47-31(13-9-21-45(47)52-43)29-23-25-37-41(27-29)50-39-17-5-3-15-35(39)49(37)36-16-4-6-18-40(36)51-42-28-30(24-26-38(42)49)32-14-10-22-46-48(32)34-12-2-8-20-44(34)53-46;1-4-16-38-32(10-1)45-30(11-7-19-41(45)50-38)28-21-23-36-43(26-28)51-39-17-5-2-14-34(39)48(36)35-15-3-6-18-40(35)52-44-27-29(22-24-37(44)48)31-12-8-20-42-46(31)33-13-9-25-49-47(33)53-42;1-4-14-38-32(9-1)46-30(10-7-17-42(46)50-38)28-19-21-36-44(25-28)52-40-15-5-2-12-34(40)48(36)35-13-3-6-16-41(35)53-45-26-29(20-22-37(45)48)31-11-8-18-43-47(31)33-27-49-24-23-39(33)51-43;1-4-14-38-32(9-1)46-30(10-7-17-41(46)50-38)28-19-21-36-43(25-28)51-39-15-5-2-12-34(39)48(36)35-13-3-6-16-40(35)52-44-26-29(20-22-37(44)48)31-11-8-18-42-47(31)33-23-24-49-27-45(33)53-42;1-3-15-37-33(13-1)47(35-21-19-27(25-39(35)50-37)29-9-5-17-41-43(29)31-11-7-23-48-45(31)52-41)34-14-2-4-16-38(34)51-40-26-28(20-22-36(40)47)30-10-6-18-42-44(30)32-12-8-24-49-46(32)53-42;1-3-11-37-33(9-1)47(35-17-15-27(23-39(35)50-37)29-7-5-13-43-45(29)31-25-48-21-19-41(31)52-43)34-10-2-4-12-38(34)51-40-24-28(16-18-36(40)47)30-8-6-14-44-46(30)32-26-49-22-20-42(32)53-44;1-3-11-37-33(9-1)47(35-17-15-27(23-39(35)50-37)29-7-5-13-41-45(29)31-19-21-48-25-43(31)52-41)34-10-2-4-12-38(34)51-40-24-28(16-18-36(40)47)30-8-6-14-42-46(30)32-20-22-49-26-44(32)53-42/h2*1-33H;2*1-28H;3*1-27H;3*1-26H |
| InChIKey | ARUAFPILIGXDKK-UHFFFAOYSA-N |
| XLogP | 135.30 |
| TPSA | 428.73 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 49 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 542 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 7111.32 |
| LogP ≤ 5 | 135.30 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 49 |